[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] N,N-diethylcarbamodithioate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] N,N-diethylcarbamodithioate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C(C#N)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C(C#N)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C16H18N4OS2/c1-3-20(4-2)16(22)23-10-14(21)11(9-17)15-18-12-7-5-6-8-13(12)19-15/h5-8,11H,3-4,10H2,1-2H3,(H,18,19)